Information card for entry 4031090

Structure parameters

• Formula: C57.5 H51 Br6 Cl2 N3
• Calculated formula: C57.499 H51 Br6 Cl2 N3
• Title of publication: Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.
• Authors of publication: Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 12
• Pages of publication: 6300 - 6312
• a: 13.461 ± 0.004 Å
• b: 14.296 ± 0.004 Å
• c: 14.91 ± 0.005 Å
• α: 95.41 ± 0.03°
• β: 111.3 ± 0.03°
• γ: 90.28 ± 0.03°
• Cell volume: 2659 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No